SCHEMBL20765462

SCHEMBL20765462

CC(C)[C@H]1CN(Cc2ccccc2F)CCN1C(=O)c1ccc2[nH]c(CC#N)nc2c1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 2/20 0.37
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2B Q13224 1/20 0.36
GHSR Q92847 1/20 0.36
PKM P14618 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL20765465 1.00 IDH1 (0.37) IDH1KDM4EMEN1ALDH1A1LMNA
SCHEMBL20765519 0.91 MEN1 (0.38) KDM4EMEN1ALDH1A1LMNAKMT2A
SCHEMBL20765521 0.91 MEN1 (0.38) KDM4EMEN1ALDH1A1LMNAKMT2A
SCHEMBL20765470 0.85 BCHE (0.39) KDM4EMEN1ALDH1A1LMNAKMT2A
SCHEMBL20774925 0.84 ALDH1A1 (0.52) KDM4EMEN1ALDH1A1LMNAKMT2A
SCHEMBL20765619 0.83 ALDH1A1 (0.40) MEN1ALDH1A1KMT2A
SCHEMBL20765618 0.83 ALDH1A1 (0.40) MEN1ALDH1A1KMT2A
SCHEMBL20765600 0.81 CHEK2 (0.42) KDM4EALDH1A1PKM
SCHEMBL20766547 0.79 PKM (0.42) KDM4EMEN1ALDH1A1LMNAKMT2A
SCHEMBL20766545 0.79 PKM (0.42) KDM4EMEN1ALDH1A1LMNAKMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019038683-A1 COMPOUNDS TARGETING TANDEM BRCT DOMAINS OF BRCA1, COMPOSITIONS AND METHODS THEREOF INSTITUTE FOR STEM CELL BIOLOGY AND REGENERATIVE MEDICINE (IN) 2019-02-28 WO claimed